CID 59305

102366-71-2

Structural Information

Molecular Formula
C19H30ClNO
SMILES
CCCCCCCCCCCC(=O)NCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C19H30ClNO/c1-2-3-4-5-6-7-8-9-10-11-19(22)21-16-17-12-14-18(20)15-13-17/h12-15H,2-11,16H2,1H3,(H,21,22)
InChIKey
SJRZOAKHWBAIBI-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2016 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20888 183.0
[M+Na]+ 346.19082 187.0
[M-H]- 322.19432 184.8
[M+NH4]+ 341.23542 197.9
[M+K]+ 362.16476 180.9
[M+H-H2O]+ 306.19886 175.9
[M+HCOO]- 368.19980 200.1
[M+CH3COO]- 382.21545 212.4
[M+Na-2H]- 344.17627 183.5
[M]+ 323.20105 188.2
[M]- 323.20215 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.